3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzoic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H20N2O2/c1-15-6-3-7-16(9-8-15)11-12-4-2-5-13(10-12)14(17)18/h2,4-5,10H,3,6-9,11H2,1H3,(H,17,18)